SCHEMBL4577973

SCHEMBL4577973

COC(=O)c1cc2ccc(OCCN3CCCCC3)cc2o1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.63
CYP1A2 P05177 1/20 0.60
KDM4E B2RXH2 4/20 0.57
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
MAOA P21397 2/20 0.51
TSHR P16473 1/20 0.51
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.49
POLB P06746 1/20 0.49
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1065576 0.90 CYP1A2 (0.74) MAOBCYP1A2KDM4EDRD2DRD3
SCHEMBL445130 0.90 KDM4E (0.55) MAOBCYP1A2KDM4EDRD2DRD3
SCHEMBL8229194 0.87 MAOB (0.67) MAOBCYP1A2KDM4EDRD2DRD3
SCHEMBL28044324 0.84 CYP1A2 (0.82) MAOBCYP1A2KDM4EDRD2DRD3
SCHEMBL29233642 0.83 CYP1A2 (0.84) MAOBCYP1A2KDM4EDRD2DRD3
SCHEMBL5105919 0.81 CYP1A2 (0.61) CYP1A2KDM4EDRD2DRD3TSHR
SCHEMBL8223059 0.81 MAOA (0.67) MAOBCYP1A2KDM4EMAOA
SCHEMBL6983907 0.81 KDM4E (0.60) MAOBCYP1A2KDM4EDRD2DRD3
SCHEMBL29233586 0.80 CYP1A2 (0.71) MAOBCYP1A2KDM4EDRD3MAOA
SCHEMBL444905 0.78 KDM4E (0.58) MAOBKDM4EDRD2DRD3TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAOB 2499/4885CYP1A2 4430/4885KDM4E 123/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.